Mol:FL2FA9GS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 32 0 0 0 0 0 0 0 0999 V2000 | + | 29 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1585 -0.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1585 -0.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1585 -1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1585 -1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4440 -1.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4440 -1.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2705 -1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2705 -1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2705 -0.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2705 -0.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4440 0.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4440 0.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9851 -1.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9851 -1.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6997 -1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6997 -1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6997 -0.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6997 -0.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9851 0.1908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9851 0.1908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4139 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4139 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1421 -0.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1421 -0.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8703 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8703 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8703 1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8703 1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1421 1.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1421 1.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4139 1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4139 1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9851 -2.1578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9851 -2.1578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8727 0.1907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8727 0.1907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4440 -2.2841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4440 -2.2841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3651 0.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3651 0.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6905 -0.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6905 -0.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9046 0.7106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9046 0.7106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6905 1.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6905 1.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3651 1.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3651 1.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1511 1.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1511 1.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9348 2.2841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9348 2.2841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6905 1.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6905 1.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7580 1.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7580 1.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8703 0.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8703 0.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 21 20 1 1 0 0 0 | + | 21 20 1 1 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 25 20 1 1 0 0 0 | + | 25 20 1 1 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 20 29 1 0 0 0 0 | + | 20 29 1 0 0 0 0 |
| − | 21 18 1 0 0 0 0 | + | 21 18 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL2FA9GS0003 | + | ID FL2FA9GS0003 |
| − | FORMULA C21H22O8 | + | FORMULA C21H22O8 |
| − | EXACTMASS 402.13146768 | + | EXACTMASS 402.13146768 |
| − | AVERAGEMASS 402.39458 | + | AVERAGEMASS 402.39458 |
| − | SMILES C(C3)(c(c4)cccc4)Oc(c2C(=O)3)cc(cc(O)2)OC(O1)C(O)C(O)C(O)C(C)1 | + | SMILES C(C3)(c(c4)cccc4)Oc(c2C(=O)3)cc(cc(O)2)OC(O1)C(O)C(O)C(O)C(C)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 32 0 0 0 0 0 0 0 0999 V2000
-1.1585 -0.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1585 -1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4440 -1.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2705 -1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2705 -0.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4440 0.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9851 -1.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6997 -1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6997 -0.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9851 0.1908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4139 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1421 -0.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8703 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8703 1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1421 1.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4139 1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9851 -2.1578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8727 0.1907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4440 -2.2841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3651 0.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6905 -0.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9046 0.7106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6905 1.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3651 1.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1511 1.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9348 2.2841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6905 1.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7580 1.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8703 0.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
21 20 1 1 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
25 20 1 1 0 0 0
24 26 1 0 0 0 0
23 27 1 0 0 0 0
25 28 1 0 0 0 0
20 29 1 0 0 0 0
21 18 1 0 0 0 0
S SKP 5
ID FL2FA9GS0003
FORMULA C21H22O8
EXACTMASS 402.13146768
AVERAGEMASS 402.39458
SMILES C(C3)(c(c4)cccc4)Oc(c2C(=O)3)cc(cc(O)2)OC(O1)C(O)C(O)C(O)C(C)1
M END
